TL;DR: 2-(Morpholin-4-yl)-1-(5-nitro-1H-indol-3-yl)ethan-1-one--hydrogen chloride (1/1) (CAS 101832-08-0) is a chemical compound with molecular formula C14H16ClN3O4 and molecular weight 325.08295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-morpholin-4-ium-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone chloride
Also Known As: 5-Nitro-3-morpholinoacetylindole, INDOLE, 3-(1-MORPHOLINOACETYL)-5-NITRO-, HYDROCHLORIDE, 2-morpholin-4-ium-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone chloride, 4-[2-(5-nitro-1h-indol-3-yl)-2-oxoethyl]morpholin-4-ium chloride, 2-(Morpholin-4-yl)-1-(5-nitro-1H-indol-3-yl)ethan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C14H16ClN3O4 |
| Molecular Weight | 325.08295 g/mol |
| XLogP | -2.82 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.08295 Da |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
| SMILES | C1COCC[NH+]1CC(=O)C2=CNC3=C2C=C(C=C3)[N+](=O)[O-].[Cl-] |
| InChIKey | SVTBJSZQVGQHRI-UHFFFAOYSA-N |
The XLogP value of -2.82 indicates that 2-(Morpholin-4-yl)-1-(5-nitro-1H-indol-3-yl)ethan-1-one--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Morpholin-4-yl)-1-(5-nitro-1H-indol-3-yl)ethan-1-one--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 2-(Morpholin-4-yl)-1-(5-nitro-1H-indol-3-yl)ethan-1-one--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Morpholin-4-yl)-1-(5-nitro-1H-indol-3-yl)ethan-1-one--hydrogen chloride (1/1) is 101832-08-0.
The molecular formula of 2-(Morpholin-4-yl)-1-(5-nitro-1H-indol-3-yl)ethan-1-one--hydrogen chloride (1/1) is C14H16ClN3O4.
The molecular weight of 2-(Morpholin-4-yl)-1-(5-nitro-1H-indol-3-yl)ethan-1-one--hydrogen chloride (1/1) is 325.08295 g/mol.
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